4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one

C22H15ClF2N4O — CID 56584790

IUPAC4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one
SMILESO=c1c(Cl)c(NC(c2ccccc2)c2ccccn2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C22H15ClF2N4O/c23-20-18(13-27-29(22(20)30)19-10-9-15(24)12-16(19)25)28-21(14-6-2-1-3-7-14)17-8-4-5-11-26-17/h1-13,21,28H
InChIKeyJQXFEANREJJZGB-UHFFFAOYSA-N
MW424.84 g/mol
LogP4.76
Rot. Bonds5

About 4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one

4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one (PubChem CID 56584790) has the molecular formula C22H15ClF2N4O and a molecular weight of 424.84 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one
PubChem CID56584790
Molecular FormulaC22H15ClF2N4O
Molecular Weight424.84 g/mol
Exact Mass424.09
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one
SMILESO=c1c(Cl)c(NC(c2ccccc2)c2ccccn2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C22H15ClF2N4O/c23-20-18(13-27-29(22(20)30)19-10-9-15(24)12-16(19)25)28-21(14-6-2-1-3-7-14)17-8-4-5-11-26-17/h1-13,21,28H
InChIKeyJQXFEANREJJZGB-UHFFFAOYSA-N
XLogP4.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one (CID 56584790) is 4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one is O=c1c(Cl)c(NC(c2ccccc2)c2ccccn2)cnn1-c1ccc(F)cc1F.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one?
The InChIKey is JQXFEANREJJZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF2N4O/c23-20-18(13-27-29(22(20)30)19-10-9-15(24)12-16(19)25)28-21(14-6-2-1-3-7-14)17-8-4-5-11-26-17/h1-13,21,28H.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one?
4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one has a molecular weight of 424.84 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one is sourced from PubChem (CID 56584790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).